methyl 2-[[(4-hexylphenyl)carbonyl-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: methyl 2-[[(4-hexylphenyl)carbonyl-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(4-hexylbenzoyl)-isopentyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-hexylphenyl)-oxomethyl]-(3-methylbutyl)amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-hexylbenzoyl)-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-hexylbenzoyl)-isoamyl-amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C24H34N2O3S MolecularWeight: 430.60336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N(CCC(C)C)CC2=NC(=CS2)C(=O)OC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N(CCC(C)C)CC2=NC(=CS2)C(=O)OC

InChI

InChI=1S/C24H34N2O3S/c1-5-6-7-8-9-19-10-12-20(13-11-19)23(27)26(15-14-18(2)3)16-22-25-21(17-30-22)24(28)29-4/h10-13,17-18H,5-9,14-16H2,1-4H3